Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5f77bf4b10fcfc9eab1a5639e1495b8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 133.155,
"b": 99.343,
"c": 124.957,
"alpha": 90.00,
"beta": 108.63,
"gamma": 90.00
},
"wavelengths": [0.95360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.800,2.3680],
"number_observations_unique": 62334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.370],
"number_observations": 25430,
"number_observations_unique": 4393,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.029
},
{
"type": "R(meas)",
"value": 1.127
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [45.800,10.590],
"number_observations": 4214,
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}